(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone

C20H24N2O2 — CID 129417459

IUPAC(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)16-9-7-15(8-10-16)19(23)22-13-11-17(14-22)24-18-6-4-5-12-21-18/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyOVNBOHWONIHAKG-KRWDZBQOSA-N
MW324.42 g/mol
LogP3.67
Rot. Bonds3

About (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone

(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 129417459) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
PubChem CID129417459
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)16-9-7-15(8-10-16)19(23)22-13-11-17(14-22)24-18-6-4-5-12-21-18/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyOVNBOHWONIHAKG-KRWDZBQOSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
5-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798575
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone (CID 129417459) is (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is OVNBOHWONIHAKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)16-9-7-15(8-10-16)19(23)22-13-11-17(14-22)24-18-6-4-5-12-21-18/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone?
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).